Add more tests for __hash__ and __eq__ for pyjess classes

althonos · Nov 29, 2024 · 3d21ee9 · 3d21ee9
1 parent 94536ad
commit 3d21ee9
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Showing 5 changed files with 61 additions and 3 deletions.
diff --git a/src/pyjess/tests/test_atom.py b/src/pyjess/tests/test_atom.py
@@ -59,9 +59,18 @@ def test_init_invalid_residue_name(self):
     def test_hash(self):
         a1 = self._create_atom()
         a2 = self._create_atom()
-        self.assertEqual(a1, a2)
         self.assertEqual(hash(a1), hash(a2))
         self.assertIsNot(a1, a2)
+        a3 = self._create_atom(x=1.0)
+        self.assertNotEqual(hash(a1), hash(a3))
+
+    def test_eq(self):
+        a1 = self._create_atom()
+        a2 = self._create_atom()
+        self.assertEqual(a1, a2)
+        self.assertIsNot(a1, a2)
+        a3 = self._create_atom(x=1.0)
+        self.assertNotEqual(a1, a3)
 
     def test_repr_roundtrip(self):
         atom = self._create_atom()

diff --git a/src/pyjess/tests/test_jess.py b/src/pyjess/tests/test_jess.py
@@ -46,9 +46,23 @@ def test_hash(self):
             template2 = Template.load(f)
         j1 = Jess([template1, template2])
         j2 = Jess([template1, template2])
-        self.assertEqual(j1, j2)
         self.assertEqual(hash(j1), hash(j2))
         self.assertIsNot(j1, j2)
+        j3 = Jess([template1])
+        self.assertNotEqual(hash(j1), hash(j3))
+
+    @unittest.skipUnless(files, "importlib.resources not available")
+    def test_eq(self):
+        with files(data).joinpath("template_01.qry").open() as f:
+            template1 = Template.load(f)
+        with files(data).joinpath("template_02.qry").open() as f:
+            template2 = Template.load(f)
+        j1 = Jess([template1, template2])
+        j2 = Jess([template1, template2])
+        self.assertEqual(j1, j2)
+        self.assertIsNot(j1, j2)
+        j3 = Jess([template1])
+        self.assertNotEqual(j1, j3)
 
     @unittest.skipUnless(files, "importlib.resources not available")
     def test_pickle_roundtrip(self):

diff --git a/src/pyjess/tests/test_molecule.py b/src/pyjess/tests/test_molecule.py
@@ -96,7 +96,23 @@ def test_hash(self):
         mol1 = Molecule(atoms)
         mol2 = Molecule(atoms)
         self.assertEqual(hash(mol1), hash(mol2))
+        self.assertIsNot(mol1, mol2)
+        mol3 = Molecule(atoms[:-1])
+        self.assertNotEqual(hash(mol1), hash(mol3))
+
+    def test_eq(self):
+        atoms = [
+            self._create_atom(serial=1, name='N'),
+            self._create_atom(serial=2, name='CA'),
+            self._create_atom(serial=3, name='C'),
+            self._create_atom(serial=4, name='O'),
+        ]
+        mol1 = Molecule(atoms)
+        mol2 = Molecule(atoms)
         self.assertEqual(mol1, mol2)
+        self.assertIsNot(mol1, mol2)
+        mol3 = Molecule(atoms[:-1])
+        self.assertNotEqual(mol1, mol3)
 
     def test_copy(self):
         atoms = [

diff --git a/src/pyjess/tests/test_template.py b/src/pyjess/tests/test_template.py
@@ -93,6 +93,16 @@ def test_hash(self):
         self.assertEqual(tpl1, tpl2)
         self.assertEqual(hash(tpl1), hash(tpl2))
         self.assertIsNot(tpl1, tpl2)
+        tpl3 = Template.loads(TEMPLATE, id="tpl3")
+        self.assertNotEqual(hash(tpl1), hash(tpl3))
+
+    def test_eq(self):
+        tpl1 = Template.loads(TEMPLATE, id="tpl1")
+        tpl2 = Template.loads(TEMPLATE, id="tpl1")
+        self.assertEqual(tpl1, tpl2)
+        self.assertIsNot(tpl1, tpl2)
+        tpl3 = Template.loads(TEMPLATE, id="tpl3")
+        self.assertNotEqual(tpl1, tpl3)
 
     def test_copy(self):
         tpl1 = Template.loads(TEMPLATE, id="tpl1")

diff --git a/src/pyjess/tests/test_template_atom.py b/src/pyjess/tests/test_template_atom.py
@@ -35,9 +35,18 @@ def _create_atom(self, **kwargs):
     def test_hash(self):
         a1 = self._create_atom()
         a2 = self._create_atom()
-        self.assertEqual(a1, a2)
         self.assertEqual(hash(a1), hash(a2))
         self.assertIsNot(a1, a2)
+        a3 = self._create_atom(x=1.0)
+        self.assertNotEqual(hash(a1), hash(a3))
+
+    def test_eq(self):
+        a1 = self._create_atom()
+        a2 = self._create_atom()
+        self.assertEqual(a1, a2)
+        self.assertIsNot(a1, a2)
+        a3 = self._create_atom(x=1.0)
+        self.assertNotEqual(a1, a3)
 
     @unittest.skipUnless(sys.implementation.name == "cpython", "only available on CPython")
     def test_sizeof(self):